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Screening compounds

Resomycin B

Also known as Methyl 5,7-dihydroxy-2-methyl-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate

CAS 680610-38-2Formula C21H16O6Molar mass 364.35 g/mol
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Resomycin B chemical structure, C21H16O6, CAS 680610-38-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
680610-38-2
Formula
C21H16O6
Molar mass
364.35 g/mol
HS code
291899
Category
Screening compounds

What is Resomycin B?

Plain description, key identifiers and synonyms

Resomycin B is a quinone and a member of tetracenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 5,7-dihydroxy-2-methyl-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate
CAS number
680610-38-2
Molecular formula
C21H16O6
InChIKey
VNRWFBMFEVWOID-UHFFFAOYSA-N
InChI
InChI=1S/C21H16O6/c1-9-6-7-10-12(15(9)21(26)27-2)8-13-17(19(10)24)20(25)16-11(18(13)23)4-3-5-14(16)22/h3-5,8,22,24H,6-7H2,1-2H3
SMILES (canonical and isomeric)
CC1=C(C2=CC3=C(C(=C2CC1)O)C(=O)C4=C(C3=O)C=CC=C4O)C(=O)OC

Synonyms

  • Methyl 5,7-dihydroxy-2-methyl-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
364.35 g/molcalc.
Exact mass
364.0947 Dacalc.
LogP (octanol/water)
2.77calc.
Topological polar surface area
100.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2ccccc2C(=O)c2cc3c(cc21)C=CCC3

O=C1c2ccccc2C(=O)c2cc3c(cc21)C=CCC3

4 rings, 20 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Resomycin B suppliers

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Resomycin B price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Resomycin B is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Resomycin B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Resomycin B, based on the data on this page

What is Resomycin B?

Resomycin B is a quinone and a member of tetracenes.

What is the CAS number of Resomycin B?

The CAS registry number of Resomycin B is 680610-38-2.

What is the molecular formula and weight of Resomycin B?

The molecular formula of Resomycin B is C21H16O6 and its molar mass is 364.35 g/mol.

What is Resomycin B used for?

Known uses and roles of Resomycin B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Resomycin B hazardous?

No GHS hazard classification for Resomycin B is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Resomycin B?

Resomycin B is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Resomycin B?

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What is the price of Resomycin B?

Suppliers quote Resomycin B on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Resomycin B

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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